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p-nitrothiobenzoic acid, S-p-tolyl ester
SpectraBase Compound ID AGbFvyaiNxB
InChI InChI=1S/C14H11NO3S/c1-10-2-8-13(9-3-10)19-14(16)11-4-6-12(7-5-11)15(17)18/h2-9H,1H3
InChIKey LMFTVBRXQOQHQC-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C14H11NO3S
Exact Mass 273.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YLWXLb2rCn
Name Benzenecarbothioic acid, 4-nitro-, S-(4-methylphenyl) ester
CAS Registry Number 28122-84-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO3S
InChI InChI=1S/C14H11NO3S/c1-10-2-8-13(9-3-10)19-14(16)11-4-6-12(7-5-11)15(17)18/h2-9H,1H3
InChIKey LMFTVBRXQOQHQC-UHFFFAOYSA-N
Molecular Weight 273.306 g/mol
SMILES c1cc(ccc1C(=O)Sc1ccc(cc1)C)N(=O)=O
SPLASH splash10-0udi-7900000000-28f52a40599eb5c19953
Source of Spectrum O-8-319-3
Synonyms S-(4-Methylphenyl) 4-nitrobenzenecarbothioate 4-Nitrobenzenecarbothioic acid S-(4-methylphenyl) ester 4-Nitrothiobenzoic acid S-(p-tolyl) ester Benzoic acid, p-nitrothio-, S-(p-tolyl) ester p-Nitrothiobenzoic acid S-p-tolyl ester S-(p-tolyl) 4-nitrobenzenecarbothioate S-(p-Tolyl) 4-nitrothiolbenzoate S-(p-Tolyl) p-nitrothiobenzoate BRN 2507646
Wiley ID 1277119